2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C18H20N2O — CID 60682216

IUPAC2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCCc3ccccc32)c1N
InChIInChI=1S/C18H20N2O/c1-12-6-4-10-15(17(12)19)18(21)20-16-11-5-8-13-7-2-3-9-14(13)16/h2-4,6-7,9-10,16H,5,8,11,19H2,1H3,(H,20,21)
InChIKeyBGHSREXBHSRAAM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.38
Rot. Bonds2

About 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 60682216) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID60682216
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCCc3ccccc32)c1N
InChIInChI=1S/C18H20N2O/c1-12-6-4-10-15(17(12)19)18(21)20-16-11-5-8-13-7-2-3-9-14(13)16/h2-4,6-7,9-10,16H,5,8,11,19H2,1H3,(H,20,21)
InChIKeyBGHSREXBHSRAAM-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 94012657
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-hydroxy-3-methylbenzoate
CID 2578012
2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide
CID 9397114
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 60682216) is 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is Cc1cccc(C(=O)NC2CCCc3ccccc32)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is BGHSREXBHSRAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-6-4-10-15(17(12)19)18(21)20-16-11-5-8-13-7-2-3-9-14(13)16/h2-4,6-7,9-10,16H,5,8,11,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 60682216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).